Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-
TL;DR: Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- (CAS 159850-78-9) is a chemical compound with molecular formula C19H13N3O3 and molecular weight 331.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzoyl-6-benzyl-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Also Known As: Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-, 3-Benzoyl-6-(phenylmethyl)isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-Benzoyl-6-benzyl-6,7-dihydroisoxazolo(4,3-d)pyrimidin-7-one, 3-benzoyl-6-benzyl-[1,2]oxazolo[4,3-d]pyrimidin-7-one, Isoxazolo[4,3-d]pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C19H13N3O3 |
| Molecular Weight | 331.0957 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0957 Da |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(ON=C3C2=O)C(=O)C4=CC=CC=C4 |
| InChIKey | UTQRMLOZSILRKS-UHFFFAOYSA-N |
Chemical Property Profile of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-
Property Insights of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-. Following Lipinski's Rule of Five, Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-?
The CAS number of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- is 159850-78-9.
What is the molecular formula of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-?
The molecular formula of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- is C19H13N3O3.
What is the molecular weight of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-?
The molecular weight of Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- is 331.0957 g/mol.
Where can I buy Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-?
You can request a quote for Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)-?
Yes, CoreyChem provides custom synthesis services for Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-6-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.